============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. PHE 5 1.000 130.159 94.501 9.563 -99.200 -91.000 TYR 9 0.840 125.705 97.369 5.335 -99.200 -91.000 PHE 22 1.000 104.754 98.811 15.727 -99.200 -91.000 PHE 24 1.000 111.181 100.585 17.484 -99.200 -91.000 TRP 25 1.040 118.086 97.590 14.012 -99.200 -91.000 TRP6 25 1.020 117.794 99.248 12.348 -99.200 -91.000 TYR 29 0.840 117.486 90.823 20.169 -99.200 -91.000 PHE 30 1.000 113.287 95.959 11.494 -99.200 -91.000 PHE 33 1.000 101.914 94.186 12.856 -99.200 -91.000 PHE 34 1.000 104.693 90.873 9.855 -99.200 -91.000 PHE 40 1.000 99.464 89.307 21.688 -99.200 -91.000 PHE 41 1.000 100.534 85.555 17.860 -99.200 -91.000 PHE 43 1.000 103.023 88.034 28.212 -99.200 -91.000 TYR 51 0.840 96.762 78.944 35.382 -99.200 -91.000 TRP 59 1.040 106.404 73.686 38.970 -99.200 -91.000 TRP6 59 1.020 106.241 74.977 36.987 -99.200 -91.000 PHE 62 1.000 115.851 66.613 31.140 -99.200 -91.000 TYR 73 0.840 86.941 66.529 25.152 -99.200 -91.000 PHE 85 1.000 95.845 75.575 30.574 -99.200 -91.000 TRP 86 1.040 98.717 70.087 22.057 -99.200 -91.000 TRP6 86 1.020 97.341 70.263 20.139 -99.200 -91.000 PHE 97 1.000 106.901 77.766 15.762 -99.200 -91.000 TRP 100 1.040 112.396 84.002 14.119 -99.200 -91.000 TRP6 100 1.020 112.884 85.417 15.942 -99.200 -91.000 TRP 115 1.040 112.531 89.106 -0.172 -99.200 -91.000 TRP6 115 1.020 110.214 89.448 -0.490 -99.200 -91.000 HIS 116 0.900 117.553 83.444 -2.228 -99.200 -91.000 PHE 121 1.000 111.443 79.757 10.828 -99.200 -91.000 PHE 126 1.000 104.528 71.205 4.255 -99.200 -91.000 PHE 128 1.000 103.899 73.498 15.187 -99.200 -91.000 PHE 134 1.000 98.451 71.538 6.708 -99.200 -91.000 TRP 142 1.040 91.658 70.080 17.089 -99.200 -91.000 TRP6 142 1.020 93.000 70.812 15.288 -99.200 -91.000 HIS 144 0.900 94.278 60.724 15.626 -99.200 -91.000 PHE 146 1.000 104.758 67.914 18.090 -99.200 -91.000 TYR 148 0.840 102.822 71.772 21.816 -99.200 -91.000 HIS 153 0.900 109.847 66.129 21.497 -99.200 -91.000 TRP 156 1.040 102.351 61.976 18.999 -99.200 -91.000 TRP6 156 1.020 103.391 62.682 17.002 -99.200 -91.000 PHE 160 1.000 102.660 59.060 13.346 -99.200 -91.000 TYR 162 0.840 108.256 50.332 17.872 -99.200 -91.000 TYR 164 0.840 100.706 54.058 11.020 -99.200 -91.000 TRP 167 1.040 107.944 56.253 10.697 -99.200 -91.000 TRP6 167 1.020 105.687 56.870 10.445 -99.200 -91.000 HIS 168 0.900 113.890 52.146 11.544 -99.200 -91.000 TYR 169 0.840 110.913 47.053 6.817 -99.200 -91.000 HIS 173 0.900 111.526 57.511 9.238 -99.200 -91.000 PHE 179 1.000 116.550 64.316 -0.081 -99.200 -91.000 PHE 181 1.000 121.210 58.763 8.617 -99.200 -91.000 HIS 190 0.900 130.349 75.019 1.964 -99.200 -91.000 HIS 211 0.900 145.092 75.499 -4.530 -99.200 -91.000 TYR 215 0.840 139.855 67.320 -0.810 -99.200 -91.000 PHE 216 1.000 134.997 67.667 -1.911 -99.200 -91.000 TYR 222 0.840 130.096 67.477 -10.380 -99.200 -91.000 HIS 230 0.900 127.644